Here we present an overview of recent developments of X-ray and electron spectroscopy to probe water at different temperatures. Photon-induced ionization followed by detection of …
We present a picture that combines discussions regarding the thermodynamic anomalies in ambient and supercooled water with recent interpretations of X-ray spectroscopy and …
In the present work, we combined vibrational spectroscopy with electronic structure calculations to understand the solvation of HMF in DMSO, water, and DMSO/water mixtures …
I Josefsson, K Kunnus, S Schreck… - The journal of …, 2012 - ACS Publications
A new ab initio approach to the calculation of X-ray spectra is demonstrated. It combines a high-level quantum chemical description of the chemical interactions and local atomic …
The valence-excited states of ferric and ferrous hexacyanide ions in aqueous solution were mapped by resonant inelastic X-ray scattering (RIXS) at the Fe L2, 3 and NK edges. Probing …
Based on recent experimental data that can be interpreted as indicating the presence of specific structures in liquid water, we build and optimize two structural models which we …
N Engel, SI Bokarev, E Suljoti… - The Journal of …, 2014 - ACS Publications
Resonant inelastic X-ray scattering (RIXS) and X-ray absorption (XA) experiments at the iron L-and nitrogen K-edge are combined with high-level first-principles restricted active space …
K Kunnus, I Rajkovic, S Schreck, W Quevedo… - Review of Scientific …, 2012 - pubs.aip.org
We present a flexible and compact experimental setup that combines an in vacuum liquid jet with an x-ray emission spectrometer to enable static and femtosecond time-resolved …
KM Lange, EF Aziz - Chemical Society Reviews, 2013 - pubs.rsc.org
Soft X-ray spectroscopies are powerful tools for probing the local electronic and molecular orbital structures of materials in different phases and various environments. While modern …